MMs00031491 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -1.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2241 -1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4991 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4482 -2.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9484 -2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7232 -1.4312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 -2.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6722 -4.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9473 -2.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7226 -1.4901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3226 -2.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2737 0.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5578 0.0982 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5578 1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2172 -1.3626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5278 -2.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5013 -2.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6355 -1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0524 0.2257 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7418 1.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8277 1.5098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3274 1.4804 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3569 2.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2980 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8271 1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5515 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0512 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8266 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1022 2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6025 2.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8781 4.0485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6535 5.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1532 5.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8775 3.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0508 0.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 1.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0508 -0.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 0.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 0.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 -3.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 -3.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 -0.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 -0.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4534 0.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3216 -2.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6863 -0.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2482 2.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9312 -0.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6307 -0.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0263 1.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0740 6.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7734 6.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0773 3.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 55 1 0 0 0 0 37 38 1 0 0 0 0 37 56 1 0 0 0 0 38 57 1 0 0 0 0 M END